(3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine

C13H23N3O — CID 61097427

IUPAC(3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine
SMILESCCCCCCOc1nnc(C)c(C)c1CN
InChIInChI=1S/C13H23N3O/c1-4-5-6-7-8-17-13-12(9-14)10(2)11(3)15-16-13/h4-9,14H2,1-3H3
InChIKeyCDMMDWHMYLIJAY-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.51
Rot. Bonds7

About (3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine

(3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine (PubChem CID 61097427) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine
PubChem CID61097427
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine
SMILESCCCCCCOc1nnc(C)c(C)c1CN
InChIInChI=1S/C13H23N3O/c1-4-5-6-7-8-17-13-12(9-14)10(2)11(3)15-16-13/h4-9,14H2,1-3H3
InChIKeyCDMMDWHMYLIJAY-UHFFFAOYSA-N
XLogP2.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097023
3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61092166
[3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 82004811
[3-(3,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097021
(3-pentoxypyrazin-2-yl)methanamine
CID 62672198
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
[3-(2,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096824
(2-heptoxy-4-methylpyrimidin-5-yl)methanamine
CID 83188895
2-ethyl-6-hexoxy-5-methylpyrimidin-4-amine
CID 80989158
[3-(2-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097824
[3-(2,5-dichlorophenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61098837
[3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine
CID 63857401

Frequently Asked Questions

What is the IUPAC name of (3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine?
The IUPAC name of (3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine (CID 61097427) is (3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine.
What is the SMILES notation for (3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine?
The canonical SMILES for (3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine is CCCCCCOc1nnc(C)c(C)c1CN.
What is the InChIKey of (3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine?
The InChIKey is CDMMDWHMYLIJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-5-6-7-8-17-13-12(9-14)10(2)11(3)15-16-13/h4-9,14H2,1-3H3.
What are the key properties of (3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine?
(3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine is sourced from PubChem (CID 61097427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).